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8QU4
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BU of 8qu4 by Molmil
NF-YB/C Heterodimer in Complex with a 13-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker in an alternative binding pose
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nuclear transcription factor Y subunit alpha, ...
著者Arbore, F, Durukan, C, Klintrot, C.I.R, Grossmann, T.N, Hennig, S.
登録日2023-10-13
公開日2024-03-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y.
Chembiochem, 25, 2024
8QU3
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BU of 8qu3 by Molmil
NF-YB/C Heterodimer in Complex with a 13-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, Nuclear transcription factor Y subunit alpha, ...
著者Arbore, F, Durukan, C, Klintrot, C.I.R, Grossmann, T.N, Hennig, S.
登録日2023-10-13
公開日2024-03-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y.
Chembiochem, 25, 2024
8QU2
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BU of 8qu2 by Molmil
NF-YB/C Heterodimer in Complex with a 16-mer NF-YA-derived Peptide Stabilized with C8-Hydrocarbon Linker
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, ...
著者Durukan, C, Arbore, F, Klintrot, C.I.R, Grossmann, T.N, Hennig, S.
登録日2023-10-13
公開日2024-03-20
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Binding Dynamics of a Stapled Peptide Targeting the Transcription Factor NF-Y.
Chembiochem, 25, 2024
8PVZ
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BU of 8pvz by Molmil
Manganese-dependent transcriptional repressor DR2539 complexed with cadmium
分子名称: CADMIUM ION, Iron dependent repressor, putative
著者Mota, C, De Sanctis, D.
登録日2023-07-18
公開日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Metal ion activation and DNA recognition by the Deinococcus radiodurans manganese sensor DR2539.
Febs J., 2024
8OVR
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BU of 8ovr by Molmil
Clostridium perfringens chitinase CP56_3454 apo form
分子名称: Chitinase B, PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID), SODIUM ION, ...
著者Bloch, Y, Savvides, S.N.
登録日2023-04-26
公開日2023-07-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Clostridium perfringens chitinase CP56_3454 apo form
To Be Published
8OWF
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BU of 8owf by Molmil
Clostridium perfringens chitinase CP4_3455 with chitosan
分子名称: 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Chitodextrinase, ...
著者Bloch, Y, Savvides, S.N.
登録日2023-04-27
公開日2023-07-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Clostridium perfringens chitinase CP4_3455 with chitosan
To Be Published
8OXU
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BU of 8oxu by Molmil
Crystal Structure of the Hsp90-LA1011 Complex
分子名称: ATP-dependent molecular chaperone HSP82, dimethyl 2,6-bis[2-(dimethylamino)ethyl]-1-methyl-4-[4-(trifluoromethyl)phenyl]-4~{H}-pyridine-3,5-dicarboxylate
著者Roe, S.M, Prodromou, C.
登録日2023-05-02
公開日2023-07-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献The Crystal Structure of the Hsp90-LA1011 Complex and the Mechanism by Which LA1011 May Improve the Prognosis of Alzheimer's Disease.
Biomolecules, 13, 2023
7PTH
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BU of 7pth by Molmil
C54S mutant of choline-sulfatase from E. meliloti CECT4857 bound to choline
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
著者Gavira, J.A, Martinez-Rodriguez, S.
登録日2021-09-27
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural insights into choline-O-sulfatase reveal the molecular determinants for ligand binding.
Acta Crystallogr D Struct Biol, 78, 2022
7PJH
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BU of 7pjh by Molmil
Crystal structure of the human spliceosomal maturation factor AAR2 bound to the RNAse H domain of PRPF8
分子名称: Pre-mRNA-processing-splicing factor 8, Protein AAR2 homolog
著者Preussner, M, Santos, K, Heroven, A.C, Alles, J, Heyd, F, Wahl, M.C, Weber, G.
登録日2021-08-24
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural and functional investigation of the human snRNP assembly factor AAR2 in complex with the RNase H-like domain of PRPF8.
Acta Crystallogr D Struct Biol, 78, 2022
8SBH
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BU of 8sbh by Molmil
YeiE effector binding domain from E. coli
分子名称: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
著者Momany, C, Nune, M, Brondani, J.C, Afful, D, Neidle, E.
登録日2023-04-03
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献FinR, a LysR-type transcriptional regulator involved in sulfur homeostasis with homologs in diverse microorganisms
To Be Published
7S7S
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BU of 7s7s by Molmil
Crystal structure of hydrophobin SC16, P21212
分子名称: Hydrophobin
著者Vergunst, K.L, Langelaan, D.N.
登録日2021-09-17
公開日2022-01-19
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The N-terminal tail of the hydrophobin SC16 is not required for rodlet formation.
Sci Rep, 12, 2022
7QYH
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BU of 7qyh by Molmil
Structure of plasmepsin II in complex with 2-aminoquinazolin-4(3H)-one based open-flap inhibitor
分子名称: 2-azanyl-3-[[(2~{R})-oxolan-2-yl]methyl]-7-(5-phenylpentyl)quinazolin-4-one, Plasmepsin II
著者Bobrovs, R, Jaudzems, K.
登録日2022-01-28
公開日2022-06-29
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Exploring Aspartic Protease Inhibitor Binding to Design Selective Antimalarials.
J.Chem.Inf.Model., 62, 2022
6UP0
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BU of 6up0 by Molmil
Structure of the Mango-III fluorescent aptamer bound to YO3-Biotin
分子名称: MAGNESIUM ION, Mango-III fluorescent aptamer, POTASSIUM ION, ...
著者Trachman, R.J, Ferre-D'Amare, A.R.
登録日2019-10-16
公開日2020-10-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Fluorogenic aptamers resolve the flexibility of RNA junctions using orientation-dependent FRET.
Rna, 27, 2021
6UTO
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BU of 6uto by Molmil
Native E. coli Glyceraldehyde 3-phosphate dehydrogenase
分子名称: ACETATE ION, Glyceraldehyde-3-phosphate dehydrogenase, SN-GLYCEROL-3-PHOSPHATE, ...
著者Rodriguez-Hernandez, A, Romo-Arevalo, E, Rodriguez-Romero, A.
登録日2019-10-29
公開日2019-12-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献A Novel Substrate-Binding Site in the X-Ray Structure of an Oxidized E. coli Glyceraldehyde 3-Phosphate Dehydrogenase Elucidated by Single-Wavelength Anomalous Dispersion
Crystals, 9, 2019
6UTN
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BU of 6utn by Molmil
Native E. coli Glyceraldehyde 3-phosphate dehydrogenase
分子名称: ACETATE ION, Glyceraldehyde-3-phosphate dehydrogenase, PHOSPHATE ION, ...
著者Rodriguez-Hernandez, A, Romo-Arevalo, E, Rodriguez-Romero, A.
登録日2019-10-29
公開日2019-12-11
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献A Novel Substrate-Binding Site in the X-Ray Structure of an Oxidized E. coli Glyceraldehyde 3-Phosphate Dehydrogenase Elucidated by Single-Wavelength Anomalous Dispersion
Crystals, 9, 2019
8TJG
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BU of 8tjg by Molmil
Structure of Nei2 from Mycobacterium smegmatis in complex with Zn2+
分子名称: DNA-(apurinic or apyrimidinic site) lyase, ZINC ION
著者Warren, G, Shuman, S.
登録日2023-07-21
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure of Nei2 from Mycobacterium smegmatis in complex with Zn2+
To Be Published
6FP1
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BU of 6fp1 by Molmil
The crystal structure of P.fluorescens Kynurenine 3-monooxygenase (KMO) in complex with competitive inhibitor No. 1
分子名称: 2-(6-chloranyl-5,7-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoic acid, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Levy, C.W, Leys, D.
登録日2018-02-08
公開日2019-08-21
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献A brain-permeable inhibitor of the neurodegenerative disease target kynurenine 3-monooxygenase prevents accumulation of neurotoxic metabolites.
Commun Biol, 2, 2019
8QI7
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BU of 8qi7 by Molmil
Cryo-EM Structure of Human Serine Hydroxymethyltransferase, isoform 2 (SHMT2)
分子名称: Serine hydroxymethyltransferase, mitochondrial
著者Rutkiewicz, M, Tran, L.H, Ruszkowski, M.
登録日2023-09-11
公開日2023-09-20
最終更新日2023-11-15
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献New Structural Models of SHMT2
To Be Published
8R61
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BU of 8r61 by Molmil
Structure of IgE delta epsilon 3-4 in complex with a kappa binding nanobody
分子名称: HMM5 IgE light chain, Immunoglobulin E VH-Ceps1-Ceps1, kappa binding nanobody
著者Andersen, G.R, Gandini, R.
登録日2023-11-20
公開日2023-11-29
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献The dynamics of hinge flexibility in receptor bound immunoglobulin E revealed by electron microscopy
Biorxiv, 2023
7C7J
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BU of 7c7j by Molmil
Crystal structure of SHANK3 SPN domain in complex with GTP-bound Rap1b(G12V,Q63E)
分子名称: CALCIUM ION, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Xiao, L.X, Pan, L.F.
登録日2020-05-25
公開日2021-05-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Mechanistic Insights into the Interactions of Ras Subfamily GTPases with the SPN Domain of Autism-associated SHANK3.
Chin.J.Chem., 38, 2020
7C7I
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BU of 7c7i by Molmil
Crystal structure of SHANK3 SPN domain in complex with GTP-bound Rap1b(E30D,K31E)
分子名称: CALCIUM ION, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Xiao, L.X, Pan, L.F.
登録日2020-05-25
公開日2021-05-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Mechanistic Insights into the Interactions of Ras Subfamily GTPases with the SPN Domain of Autism-associated SHANK3.
Chin.J.Chem., 38, 2020
6DI7
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BU of 6di7 by Molmil
Vps1 GTPase-BSE fusion complexed with GDP
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Putative sorting protein
著者Varlakhanova, N.V, Brady, T.M, Ford, M.G.J.
登録日2018-05-22
公開日2018-08-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structures of the fungal dynamin-related protein Vps1 reveal a unique, open helical architecture.
J. Cell Biol., 217, 2018
7JY0
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BU of 7jy0 by Molmil
Structure of HbA with compound 9
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide, CARBON MONOXIDE, ...
著者Jasti, J.
登録日2020-08-28
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
7JXZ
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BU of 7jxz by Molmil
Structure of HbA with compound (S)-4
分子名称: 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine, CARBON MONOXIDE, ...
著者Jasti, J.
登録日2020-08-28
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
7ZAV
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BU of 7zav by Molmil
GPC3-Unc5D octamer structure and role in cell migration
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3
著者Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E.
登録日2022-03-22
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献GPC3-Unc5 receptor complex structure and role in cell migration.
Cell, 185, 2022

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件を2024-07-24に公開中

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